SCHEMBL29249558

SCHEMBL29249558

O=C1C=C(Nc2cccc(F)c2)C(=O)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.69
▸ RAB9A P51151 4/20 0.69
▸ SMN1; SMN2 Q16637 4/20 0.69
▸ NPC1 O15118 3/20 0.69
▸ MAPK1 P28482 3/20 0.69
▸ LMNA P02545 3/20 0.69
▸ HTT P42858 3/20 0.69
▸ L3MBTL1 Q9Y468 3/20 0.69
▸ ALDH1A1 P00352 3/20 0.69
▸ NFKB1 P19838 1/20 0.69
▸ NFKB2 Q00653 1/20 0.69
▸ RELA Q04206 1/20 0.69
▸ MAP2K7 O14733 1/20 0.64
▸ BLM P54132 3/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ JAK2 O60674 1/20 0.57
▸ EPHB2 P29323 1/20 0.57
▸ CASP3 P42574 3/20 0.54
▸ SENP8 Q96LD8 3/20 0.54
▸ SENP7 Q9BQF6 3/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30991489 1.00 MAPT (0.69) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL19409304 0.88 MAPT (0.68) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL16297244 0.83 CASP3 (0.77) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL29633300 0.83 CASP3 (0.77) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL29633257 0.82 MAPT (1.00) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL754259 0.82 MAPT (1.00) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL16296882 0.82 MAPT (0.69) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL29746447 0.82 MAPT (0.69) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL16296863 0.82 MAPT (0.69) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL30494363 0.82 MAPT (0.69) MAPTRAB9ASMN1; SMN2NPC1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271193-A Method for promoting catalytic synthesis of 2-amino-1, 4-naphthoquinone compounds by using nicotinic acid as ligand and using dichloro-titanocene 宁夏师范学院 2024-07-02 — — CN disclosed
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